added first tests for chemstation ms parser

ComPlat · Feb 11, 2025 · 0aa5c2e · 0aa5c2e
1 parent 8940407
commit 0aa5c2e
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Showing 74 changed files with 159 additions and 187,217 deletions.
diff --git a/BinaryParser.egg-info/PKG-INFO b/BinaryParser.egg-info/PKG-INFO
@@ -5,6 +5,7 @@ Summary: Parsing binary files
 Author: Konrad Krämer
 Author-email: konrad.kraemer@kit.edu
 Requires-Python: >=3.7
+License-File: LICENSE
 Requires-Dist: pybind11
 Requires-Dist: pandas
 Requires-Dist: numpy

diff --git a/BinaryParser.egg-info/SOURCES.txt b/BinaryParser.egg-info/SOURCES.txt
@@ -1,3 +1,4 @@
+LICENSE
 __init__.py
 pyproject.toml
 setup.py
@@ -9,9 +10,12 @@ BinaryParser.egg-info/dependency_links.txt
 BinaryParser.egg-info/not-zip-safe
 BinaryParser.egg-info/requires.txt
 BinaryParser.egg-info/top_level.txt
+chemstation/__init__.py
+chemstation/read_ms_file.py
 hplc/__init__.py
 hplc/read_files.py
 src/parser_hplc.cpp
+src/parser_ms.cpp
 src/parser_xray.cpp
 xray/__init__.py
 xray/bruker_xray.py
diff --git a/BinaryParser.egg-info/top_level.txt b/BinaryParser.egg-info/top_level.txt
@@ -1,5 +1,7 @@
 BinaryParser
+chemstation
 hplc
 parser_hplc
+parser_ms
 parser_xray
 xray
diff --git a/Chemstation/3DSpectra.png b/Chemstation/3DSpectra.png
diff --git a/Chemstation/Analyse.R b/Chemstation/Analyse.R